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Large Language Models (LLMs) are being explored for applications in scientific research, including their capabilities to synthesize literature, answer research questions, generate research ideas, and even conduct computational experiments.…

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

Large language models (LLMs) have sparked growing interest in machine learning research agents that can autonomously propose ideas and conduct experiments. However, existing benchmarks predominantly adopt an engineering-oriented…

Computation and Language · Computer Science 2026-02-26 Qiran Zou , Hou Hei Lam , Wenhao Zhao , Yiming Tang , Tingting Chen , Samson Yu , Tianyi Zhang , Chang Liu , Xiangyang Ji , Dianbo Liu

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

Large language models are now integrated into many scientific workflows, accelerating data analysis, hypothesis generation, and design space exploration. In parallel with this growth, there is a growing need to carefully evaluate whether…

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

LLM-based reasoning models have enabled the development of agentic systems that act as co-scientists, assisting in multi-step scientific analysis. However, evaluating these systems is challenging, as it requires realistic, end-to-end…

Machine Learning · Computer Science 2026-02-24 Siba Smarak Panigrahi , Jovana Videnović , Maria Brbić

The evolution of Large Language Models (LLMs) into autonomous agents has expanded the scope of AI coding from localized code generation to complex, repository-level, and execution-driven problem solving. However, current benchmarks…

Software Engineering · Computer Science 2026-01-19 Jie Yang , Honglin Guo , Li Ji , Jiazheng Zhou , Rui Zheng , Zhikai Lei , Shuo Zhang , Zhiheng Xi , Shichun Liu , Yuxin Wang , Bo Wang , Yining Zheng , Tao Gui , Xipeng Qiu

Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reasoning, code generation, and tool use. These evaluations,…

The increasing complexity of computer science research projects demands more effective tools for deploying code repositories. Large Language Models (LLMs), such as Anthropic Claude and Meta Llama, have demonstrated significant advancements…

Software Engineering · Computer Science 2025-02-13 Yijia Xiao , Runhui Wang , Luyang Kong , Davor Golac , Wei Wang

Large language models (LLMs) have shown strong performance on mathematical reasoning under well-defined conditions. However, real-world engineering problems involve uncertainty, context, and open-ended settings that extend beyond symbolic…

Artificial Intelligence · Computer Science 2026-05-05 Xiyuan Zhou , Xinlei Wang , Yirui He , Yang Wu , Ruixi Zou , Yuheng Cheng , Yulu Xie , Wenxuan Liu , Huan Zhao , Yan Xu , Jinjin Gu , Junhua Zhao

Large language models (LLMs) are increasingly used as simulated participants in social science experiments, but their behavior is often unstable and highly sensitive to design choices. Prior evaluations frequently conflate base-model…

Artificial Intelligence · Computer Science 2026-02-03 Xuan Liu , Haoyang Shang , Zizhang Liu , Xinyan Liu , Yunze Xiao , Yiwen Tu , Haojian Jin

The advancements of large language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about their true…

Large Language Models for code (code LLMs) have witnessed tremendous progress in recent years. With the rapid development of code LLMs, many popular evaluation benchmarks, such as HumanEval, DS-1000, and MBPP, have emerged to measure the…

Software Engineering · Computer Science 2024-11-15 Linyi Li , Shijie Geng , Zhenwen Li , Yibo He , Hao Yu , Ziyue Hua , Guanghan Ning , Siwei Wang , Tao Xie , Hongxia Yang

Recent advances in large language models (LLMs) have enabled agentic systems that translate natural language intent into executable scientific visualization (SciVis) tasks. Despite rapid progress, the community lacks a principled and…

Recent advances in Large Language Models (LLMs) have demonstrated strong potential in code generation, yet their effectiveness in quantum computing remains underexplored. This paper benchmarks LLMs for PennyLane-based quantum code…

Artificial Intelligence · Computer Science 2025-09-01 Abdul Basit , Minghao Shao , Muhammad Haider Asif , Nouhaila Innan , Muhammad Kashif , Alberto Marchisio , Muhammad Shafique

Autonomous language-model agents are increasingly evaluated on long-horizon tool-use tasks, but existing benchmarks rarely capture the complexity and nuance of real scientific work. To address this gap, we introduce Collider-Bench, a…

Machine Learning · Computer Science 2026-05-15 Darius A. Faroughy , Sofia Palacios Schweitzer , Ian Pang , Siddharth Mishra-Sharma , David Shih

In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…

Quantitative Methods · Quantitative Biology 2025-12-30 Dingyi Rong , Zijian Chen , Qi Jia , Kaiwei Zhang , Haotian Lu , Guangtao Zhai , Ning Liu

Building precise simulations of the real world and invoking numerical solvers to answer quantitative problems is an essential requirement in engineering and science. We present FEABench, a benchmark to evaluate the ability of large language…

Artificial Intelligence · Computer Science 2025-04-09 Nayantara Mudur , Hao Cui , Subhashini Venugopalan , Paul Raccuglia , Michael P. Brenner , Peter Norgaard

Autonomous agents powered by large language models (LLMs) promise to accelerate scientific discovery end-to-end, but rigorously evaluating their capacity for verifiable discovery remains a central challenge. Existing benchmarks face a…

Artificial Intelligence · Computer Science 2026-02-04 Zhen Wang , Fan Bai , Zhongyan Luo , Jinyan Su , Kaiser Sun , Xinle Yu , Jieyuan Liu , Kun Zhou , Claire Cardie , Mark Dredze , Eric P. Xing , Zhiting Hu
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